Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xx4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N LEU 152.A O no hydrogen 2.880 N/A THR 5.A N VAL 151.A O no hydrogen 2.876 N/A SER 7.A N LEU 177.A O no hydrogen 2.954 N/A SER 7.A OG GLY 99.A O no hydrogen 2.509 N/A VAL 9.A N ILE 175.A O no hydrogen 2.886 N/A LEU 11.A N GLY 173.A O no hydrogen 2.860 N/A THR 12.A N TYR 20.A O no hydrogen 2.770 N/A ASN 13.A ND2 ASP 16.A OD1 no hydrogen 3.086 N/A TYR 14.A N GLN 18.A O no hydrogen 2.780 N/A ASP 16.A N ASN 13.A OD1 no hydrogen 2.813 N/A THR 17.A N TYR 14.A O no hydrogen 3.008 N/A THR 17.A OG1 TYR 14.A O no hydrogen 3.444 N/A GLN 18.A N TYR 14.A O no hydrogen 3.104 N/A GLN 18.A NE2 LEU 120.A O no hydrogen 2.895 N/A TYR 19.A OH ASN 162.A O no hydrogen 2.817 N/A TYR 20.A N THR 12.A O no hydrogen 3.172 N/A GLY 21.A N VAL 34.A O no hydrogen 2.927 N/A ILE 23.A N PHE 32.A O no hydrogen 3.131 N/A GLY 24.A N THR 97.A O no hydrogen 3.035 N/A ILE 25.A N GLN 30.A O no hydrogen 2.754 N/A GLY 26.A N ILE 95.A O no hydrogen 2.996 N/A THR 27.A N SER 68.A OG no hydrogen 3.196 N/A THR 27.A OG1 SER 70.A OG no hydrogen 2.667 N/A GLN 30.A N ILE 25.A O no hydrogen 2.796 N/A GLN 30.A NE2 ASP 64.A O no hydrogen 2.822 N/A PHE 32.A N ILE 23.A O no hydrogen 2.988 N/A LYS 33.A N ASP 124.A OD2 no hydrogen 3.000 N/A VAL 34.A N GLY 21.A O no hydrogen 2.796 N/A VAL 35.A N GLY 125.A O no hydrogen 3.227 N/A ASP 37.A N VAL 127.A O no hydrogen 2.905 N/A THR 38.A N THR 226.A OG1 no hydrogen 2.825 N/A THR 38.A OG1 VAL 224.A O no hydrogen 2.716 N/A THR 38.A OG1 THR 226.A OG1 no hydrogen 3.375 N/A GLY 39.A N ASP 37.A OD1 no hydrogen 3.061 N/A SER 40.A OG ASP 37.A OD2 no hydrogen 2.636 N/A SER 41.A OG PHE 131.A O no hydrogen 2.720 N/A ASN 42.A ND2 ILE 136.A O no hydrogen 3.003 N/A TRP 44.A N VAL 126.A O no hydrogen 2.987 N/A VAL 45.A N GLY 108.A O no hydrogen 3.110 N/A SER 47.A N VAL 110.A O no hydrogen 2.893 N/A SER 47.A OG GLU 109.A OE1 no hydrogen 2.705 N/A SER 48.A N PHE 63.A O no hydrogen 2.801 N/A SER 48.A OG PHE 63.A O no hydrogen 3.097 N/A LYS 49.A N SER 47.A OG no hydrogen 3.095 N/A CYS 50.A N SER 47.A O no hydrogen 3.151 N/A CYS 50.A SG SER 51.A O no hydrogen 3.637 N/A CYS 50.A SG THR 111.A O no hydrogen 3.437 N/A ARG 52.A NH1 SER 48.A O no hydrogen 2.895 N/A ARG 52.A NH1 CYS 50.A O no hydrogen 2.746 N/A ARG 52.A NH2 SER 48.A O no hydrogen 3.438 N/A LEU 53.A N SER 51.A OG no hydrogen 3.210 N/A TYR 54.A N SER 51.A O no hydrogen 2.811 N/A TYR 54.A OH GLU 112.A OE2 no hydrogen 3.209 N/A CYS 57.A N TYR 54.A O no hydrogen 2.966 N/A TYR 59.A N THR 55.A O no hydrogen 3.155 N/A HIS 60.A N CYS 57.A O no hydrogen 3.380 N/A HIS 60.A ND1 ALA 56.A O no hydrogen 2.683 N/A HIS 60.A NE2 ALA 121.A O no hydrogen 2.922 N/A LYS 61.A N ASP 124.A OD1 no hydrogen 3.035 N/A LYS 61.A NZ THR 31.A O no hydrogen 2.873 N/A LYS 61.A NZ THR 31.A OG1 no hydrogen 3.242 N/A PHE 63.A N PRO 46.A O no hydrogen 2.819 N/A ASP 64.A N GLN 30.A OE1 no hydrogen 2.876 N/A SER 66.A N ASP 64.A OD1 no hydrogen 3.359 N/A ASP 67.A N ASP 64.A O no hydrogen 3.247 N/A SER 68.A N ALA 65.A O no hydrogen 3.079 N/A SER 68.A OG ASP 94.A OD1 no hydrogen 3.453 N/A SER 68.A OG ASP 94.A OD2 no hydrogen 2.684 N/A SER 69.A N THR 27.A O no hydrogen 3.086 N/A SER 70.A OG THR 27.A OG1 no hydrogen 2.667 N/A SER 70.A OG SER 68.A OG no hydrogen 3.353 N/A SER 70.A OG ASP 94.A OD1 no hydrogen 2.682 N/A LYS 72.A N GLN 93.A O no hydrogen 2.835 N/A GLY 75.A N LEU 91.A O no hydrogen 2.869 N/A THR 76.A N ASN 74.A OD1 no hydrogen 3.224 N/A THR 76.A OG1 ASN 74.A OD1 no hydrogen 2.746 N/A LEU 78.A N GLY 89.A O no hydrogen 2.796 N/A THR 79.A OG1 GLU 77.A OE1 no hydrogen 2.729 N/A LEU 80.A N VAL 87.A O no hydrogen 2.791 N/A TYR 82.A N GLY 85.A O no hydrogen 2.960 N/A VAL 87.A N LEU 80.A O no hydrogen 3.069 N/A SER 88.A N GLU 112.A O no hydrogen 3.154 N/A GLY 89.A N LEU 78.A O no hydrogen 2.834 N/A PHE 90.A N GLU 109.A O no hydrogen 3.168 N/A LEU 91.A N THR 76.A O no hydrogen 2.789 N/A SER 92.A N PHE 107.A O no hydrogen 2.808 N/A SER 92.A OG GLU 109.A OE2 no hydrogen 2.653 N/A GLN 93.A N LYS 72.A O no hydrogen 3.031 N/A ASP 94.A N GLN 105.A O no hydrogen 3.165 N/A ILE 95.A N ASP 94.A OD1 no hydrogen 2.768 N/A ILE 96.A N VAL 103.A O no hydrogen 2.787 N/A THR 97.A N GLY 24.A O no hydrogen 2.820 N/A VAL 98.A N ILE 101.A O no hydrogen 2.841 N/A ILE 101.A N VAL 98.A O no hydrogen 2.958 N/A VAL 103.A N ILE 96.A O no hydrogen 2.842 N/A GLN 105.A N ASP 94.A O no hydrogen 2.875 N/A GLN 105.A NE2 MET 106.A O no hydrogen 3.177 N/A GLN 105.A NE2 THR 140.A O no hydrogen 2.861 N/A PHE 107.A N SER 92.A O no hydrogen 2.822 N/A GLY 108.A N VAL 43.A O no hydrogen 2.812 N/A GLU 109.A N PHE 90.A O no hydrogen 2.807 N/A VAL 110.A N VAL 45.A O no hydrogen 2.948 N/A THR 111.A N SER 88.A O no hydrogen 2.873 N/A GLU 112.A N SER 88.A O no hydrogen 3.051 N/A PHE 118.A N PRO 114.A O no hydrogen 3.165 N/A MET 119.A N ALA 115.A O no hydrogen 2.837 N/A LEU 120.A N PRO 117.A O no hydrogen 2.832 N/A ALA 121.A N PHE 118.A O no hydrogen 3.358 N/A GLU 122.A N GLN 18.A OE1 no hydrogen 2.770 N/A ASP 124.A N LYS 33.A O no hydrogen 2.748 N/A GLY 125.A N LYS 33.A O no hydrogen 3.125 N/A VAL 126.A N TRP 44.A O no hydrogen 2.939 N/A VAL 127.A N VAL 35.A O no hydrogen 2.869 N/A GLY 128.A N ASN 42.A O no hydrogen 2.964 N/A MET 129.A N ASP 37.A O no hydrogen 2.669 N/A GLY 130.A N SER 40.A O no hydrogen 2.772 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.806 N/A GLN 134.A N PHE 131.A O no hydrogen 3.069 N/A GLN 134.A NE2 THR 308.A OG1 no hydrogen 3.384 N/A ALA 135.A N ILE 132.A O no hydrogen 3.013 N/A ILE 136.A N ASN 42.A OD1 no hydrogen 2.945 N/A ARG 138.A N ALA 135.A O no hydrogen 3.257 N/A ASN 145.A N PRO 141.A O no hydrogen 3.278 N/A ASN 145.A ND2 GLN 105.A OE1 no hydrogen 2.736 N/A ILE 146.A N ILE 142.A O no hydrogen 3.025 N/A ILE 147.A N PHE 143.A O no hydrogen 2.826 N/A SER 148.A N ASP 144.A O no hydrogen 3.028 N/A SER 148.A OG ASP 144.A O no hydrogen 3.165 N/A GLN 149.A N ILE 146.A O no hydrogen 3.073 N/A GLN 149.A NE2 THR 102.A O no hydrogen 2.754 N/A GLY 150.A N ILE 147.A O no hydrogen 2.894 N/A LYS 153.A N THR 5.A O no hydrogen 3.041 N/A GLU 154.A N GLY 178.A O no hydrogen 3.217 N/A PHE 157.A N PHE 326.A O no hydrogen 3.033 N/A SER 158.A N VAL 176.A O no hydrogen 2.812 N/A SER 158.A OG GLY 179.A O no hydrogen 2.652 N/A SER 158.A OG SER 180.A OG no hydrogen 2.628 N/A PHE 159.A N THR 324.A O no hydrogen 2.878 N/A TYR 160.A N GLN 174.A O no hydrogen 2.811 N/A TYR 161.A OH THR 226.A O no hydrogen 2.691 N/A ASN 162.A N GLY 172.A O no hydrogen 3.062 N/A ASN 162.A ND2 LEU 171.A O no hydrogen 2.762 N/A ARG 163.A N ASN 162.A OD1 no hydrogen 2.750 N/A SER 165.A OG ASN 167.A O no hydrogen 3.411 N/A ASN 167.A N SER 165.A OG no hydrogen 2.882 N/A SER 170.A N ASN 167.A O no hydrogen 3.435 N/A GLN 174.A N TYR 160.A O no hydrogen 2.871 N/A GLN 174.A NE2 ASP 181.A OD2 no hydrogen 3.237 N/A ILE 175.A N VAL 9.A O no hydrogen 3.023 N/A VAL 176.A N SER 158.A O no hydrogen 2.879 N/A LEU 177.A N SER 7.A O no hydrogen 2.769 N/A GLY 178.A N VAL 156.A O no hydrogen 2.797 N/A SER 180.A OG SER 158.A OG no hydrogen 2.628 N/A SER 180.A OG GLU 325.A OE2 no hydrogen 3.151 N/A ASP 181.A N TYR 323.A OH no hydrogen 2.930 N/A GLN 183.A N ASP 181.A OD1 no hydrogen 3.076 N/A HIS 184.A N ASP 181.A O no hydrogen 2.913 N/A HIS 184.A ND1 ARG 339.A OXT no hydrogen 3.115 N/A GLU 186.A N LEU 337.A O no hydrogen 2.967 N/A HIS 190.A N PHE 335.A O no hydrogen 3.152 N/A TYR 191.A OH GLU 325.A OE1 no hydrogen 2.958 N/A ILE 192.A N ILE 333.A O no hydrogen 2.982 N/A LEU 194.A N ASN 331.A O no hydrogen 2.853 N/A ILE 195.A N GLN 201.A O no hydrogen 3.195 N/A TRP 200.A NE1 MET 129.A O no hydrogen 3.138 N/A GLN 201.A NE2 THR 308.A O no hydrogen 2.984 N/A GLN 201.A NE2 THR 311.A OG1 no hydrogen 2.951 N/A ILE 202.A N ALA 222.A O no hydrogen 2.889 N/A MET 204.A N CYS 220.A O no hydrogen 2.822 N/A LYS 205.A N HIS 270.A O no hydrogen 2.917 N/A LYS 205.A NZ GLY 272.A O no hydrogen 3.082 N/A VAL 207.A N LEU 215.A O no hydrogen 2.925 N/A SER 208.A N SER 268.A O no hydrogen 2.902 N/A VAL 209.A N THR 213.A O no hydrogen 3.304 N/A GLY 210.A N ASP 266.A O no hydrogen 2.954 N/A LEU 215.A N VAL 207.A O no hydrogen 2.920 N/A CYS 216.A SG MET 204.A O no hydrogen 3.432 N/A GLY 219.A N CYS 216.A O no hydrogen 3.039 N/A CYS 220.A N MET 204.A O no hydrogen 2.815 N/A CYS 220.A SG MET 204.A O no hydrogen 3.969 N/A ALA 222.A N ILE 202.A O no hydrogen 2.869 N/A LEU 223.A N TRP 312.A O no hydrogen 2.812 N/A VAL 224.A N TRP 200.A O no hydrogen 2.832 N/A ASP 225.A N LEU 314.A O no hydrogen 3.033 N/A THR 226.A N THR 38.A OG1 no hydrogen 3.021 N/A THR 226.A OG1 PHE 36.A O no hydrogen 2.694 N/A THR 226.A OG1 THR 38.A OG1 no hydrogen 3.375 N/A GLY 227.A N ASP 225.A OD1 no hydrogen 3.180 N/A ALA 228.A N ASP 225.A O no hydrogen 3.346 N/A SER 229.A OG THR 17.A O no hydrogen 2.682 N/A ILE 231.A N ALA 298.A O no hydrogen 3.134 N/A SER 232.A N ALA 313.A O no hydrogen 2.786 N/A GLY 233.A N HIS 300.A O no hydrogen 3.358 N/A SER 234.A OG SER 236.A OG no hydrogen 3.216 N/A SER 234.A OG SER 237.A OG no hydrogen 2.893 N/A THR 235.A N ASP 303.A OD1 no hydrogen 3.041 N/A THR 235.A OG1 ASP 303.A OD1 no hydrogen 3.446 N/A THR 235.A OG1 ASP 303.A OD2 no hydrogen 2.646 N/A SER 236.A OG SER 234.A OG no hydrogen 3.216 N/A SER 237.A N SER 234.A OG no hydrogen 3.301 N/A SER 237.A OG SER 234.A OG no hydrogen 2.893 N/A ILE 238.A N SER 234.A O no hydrogen 2.871 N/A GLU 239.A N THR 235.A O no hydrogen 2.832 N/A LYS 240.A N SER 236.A O no hydrogen 3.121 N/A LEU 241.A N SER 237.A O no hydrogen 2.954 N/A MET 242.A N ILE 238.A O no hydrogen 2.823 N/A GLU 243.A N GLU 239.A O no hydrogen 3.044 N/A ALA 244.A N LYS 240.A O no hydrogen 3.122 N/A LEU 245.A N LEU 241.A O no hydrogen 3.195 N/A LEU 245.A N MET 242.A O no hydrogen 3.265 N/A GLY 246.A N GLU 243.A O no hydrogen 3.154 N/A ALA 247.A N MET 242.A O no hydrogen 3.042 N/A LYS 248.A N VAL 255.A O no hydrogen 2.949 N/A LYS 249.A NZ ARG 250.A O no hydrogen 2.903 N/A ARG 250.A N ASP 253.A O no hydrogen 2.785 N/A ARG 250.A NE ASP 253.A OD1 no hydrogen 2.898 N/A ARG 250.A NH2 ASP 253.A OD1 no hydrogen 3.295 N/A ARG 250.A NH2 ASP 253.A OD2 no hydrogen 2.849 N/A VAL 255.A N LYS 248.A O no hydrogen 2.945 N/A VAL 256.A N CYS 295.A O no hydrogen 3.030 N/A CYS 258.A N LYS 293.A O no hydrogen 2.985 N/A CYS 258.A SG SER 288.A OG no hydrogen 3.759 N/A GLU 260.A N LYS 257.A O no hydrogen 2.879 N/A GLY 261.A N CYS 258.A O no hydrogen 3.157 N/A THR 263.A N GLU 260.A O no hydrogen 3.039 N/A THR 263.A OG1 GLU 260.A O no hydrogen 2.787 N/A LEU 264.A N GLY 261.A O no hydrogen 3.360 N/A ILE 267.A N LEU 278.A O no hydrogen 2.874 N/A SER 268.A N SER 208.A O no hydrogen 2.943 N/A SER 268.A OG THR 277.A OG1 no hydrogen 2.682 N/A PHE 269.A N TYR 276.A O no hydrogen 2.848 N/A HIS 270.A N GLY 206.A O no hydrogen 2.894 N/A LEU 271.A N LYS 274.A O no hydrogen 3.017 N/A LYS 274.A N LEU 271.A O no hydrogen 3.192 N/A TYR 276.A N PHE 269.A O no hydrogen 2.878 N/A THR 277.A OG1 SER 268.A OG no hydrogen 2.682 N/A LEU 278.A N ILE 267.A O no hydrogen 2.825 N/A THR 279.A N ASP 282.A OD2 no hydrogen 3.001 N/A THR 279.A OG1 ASP 282.A OD2 no hydrogen 3.324 N/A SER 280.A OG GLY 261.A O no hydrogen 3.463 N/A ASP 282.A N THR 279.A O no hydrogen 2.960 N/A TYR 283.A N SER 280.A O no hydrogen 3.194 N/A TYR 283.A OH PRO 265.A O no hydrogen 2.655 N/A VAL 284.A N SER 280.A O no hydrogen 2.802 N/A PHE 285.A N THR 296.A O no hydrogen 2.874 N/A GLN 286.A N VAL 284.A O no hydrogen 2.965 N/A GLN 286.A NE2 CYS 258.A O no hydrogen 2.921 N/A GLN 286.A NE2 SER 288.A O no hydrogen 2.671 N/A GLU 287.A N PHE 285.A O no hydrogen 2.908 N/A SER 290.A N SER 288.A OG no hydrogen 3.155 N/A LYS 292.A N SER 290.A OG no hydrogen 2.968 N/A LYS 293.A N SER 290.A O no hydrogen 3.279 N/A CYS 295.A N VAL 256.A O no hydrogen 2.767 N/A CYS 295.A SG PHE 285.A O no hydrogen 3.502 N/A CYS 295.A SG SER 288.A O no hydrogen 3.663 N/A THR 296.A OG1 ASP 253.A OD2 no hydrogen 3.340 N/A LEU 297.A N TYR 254.A O no hydrogen 3.301 N/A ALA 298.A N TYR 283.A O no hydrogen 2.739 N/A HIS 300.A N ILE 231.A O no hydrogen 2.982 N/A MET 302.A N GLY 233.A O no hydrogen 2.805 N/A GLY 309.A N PRO 305.A O no hydrogen 3.135 N/A THR 311.A OG1 TRP 312.A O no hydrogen 2.848 N/A TRP 312.A N LEU 221.A O no hydrogen 2.948 N/A ALA 313.A N SER 232.A O no hydrogen 2.782 N/A LEU 314.A N LEU 223.A O no hydrogen 2.744 N/A ALA 316.A N ALA 228.A O no hydrogen 2.819 N/A THR 317.A OG1 SER 229.A O no hydrogen 3.360 N/A THR 317.A OG1 ALA 298.A O no hydrogen 2.922 N/A PHE 318.A N GLY 315.A O no hydrogen 2.920 N/A ILE 319.A N GLY 315.A O no hydrogen 3.207 N/A ARG 320.A N ALA 316.A O no hydrogen 2.961 N/A ARG 320.A NH1 ASP 16.A O no hydrogen 2.908 N/A ARG 320.A NH1 TYR 19.A OH no hydrogen 2.924 N/A LYS 321.A NZ ASP 282.A OD2 no hydrogen 3.229 N/A PHE 322.A N PHE 318.A O no hydrogen 2.998 N/A THR 324.A N PHE 159.A O no hydrogen 3.231 N/A THR 324.A OG1 PHE 322.A O no hydrogen 2.889 N/A GLU 325.A N GLY 334.A O no hydrogen 2.813 N/A PHE 326.A N PHE 157.A O no hydrogen 2.777 N/A ASP 327.A N ARG 332.A O no hydrogen 2.992 N/A ARG 328.A N ASP 155.A O no hydrogen 2.988 N/A ARG 328.A NH1 ASP 144.A OD1 no hydrogen 3.172 N/A ARG 328.A NH2 ASP 144.A OD2 no hydrogen 3.438 N/A ARG 329.A N ASP 155.A O no hydrogen 3.361 N/A ASN 330.A N ASP 327.A OD1 no hydrogen 3.261 N/A ASN 330.A ND2 ASP 327.A OD2 no hydrogen 3.020 N/A ASN 331.A N ARG 328.A O no hydrogen 3.462 N/A ARG 332.A N ASP 327.A O no hydrogen 3.223 N/A ARG 332.A NE ASP 327.A OD2 no hydrogen 2.811 N/A ILE 333.A N ILE 192.A O no hydrogen 2.926 N/A GLY 334.A N GLU 325.A O no hydrogen 2.836 N/A PHE 335.A N HIS 190.A O no hydrogen 3.004 N/A ALA 336.A N TYR 323.A O no hydrogen 3.058 N/A ALA 338.A N LYS 321.A O no hydrogen 3.071 N/A ARG 339.A N HIS 184.A O no hydrogen 3.106 N/A ARG 339.A NH2 PRO 182.A O no hydrogen 3.287 N/A